4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine

C12H15ClN6O — CID 62862647

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
SMILESCC1CN(c2nc(Cl)nc(-n3cccn3)n2)C(C)CO1
InChIInChI=1S/C12H15ClN6O/c1-8-7-20-9(2)6-18(8)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,8-9H,6-7H2,1-2H3
InChIKeyNRFCBXZBJRHYHF-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.32
Rot. Bonds2

About 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine (PubChem CID 62862647) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
PubChem CID62862647
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine
SMILESCC1CN(c2nc(Cl)nc(-n3cccn3)n2)C(C)CO1
InChIInChI=1S/C12H15ClN6O/c1-8-7-20-9(2)6-18(8)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,8-9H,6-7H2,1-2H3
InChIKeyNRFCBXZBJRHYHF-UHFFFAOYSA-N
XLogP1.32
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine (CID 62862647) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine is CC1CN(c2nc(Cl)nc(-n3cccn3)n2)C(C)CO1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
The InChIKey is NRFCBXZBJRHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-8-7-20-9(2)6-18(8)11-15-10(13)16-12(17-11)19-5-3-4-14-19/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine has a molecular weight of 294.75 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,5-dimethylmorpholine is sourced from PubChem (CID 62862647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).